2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

C17H17N3 — CID 82122216

IUPAC2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(NC3CC3)c(C#N)cc2C)cc1
InChIInChI=1S/C17H17N3/c1-11-3-5-13(6-4-11)16-12(2)9-14(10-18)17(20-16)19-15-7-8-15/h3-6,9,15H,7-8H2,1-2H3,(H,19,20)
InChIKeyGOZRTPQIUHQWHM-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.81
Rot. Bonds3

About 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile

2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile (PubChem CID 82122216) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
PubChem CID82122216
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2nc(NC3CC3)c(C#N)cc2C)cc1
InChIInChI=1S/C17H17N3/c1-11-3-5-13(6-4-11)16-12(2)9-14(10-18)17(20-16)19-15-7-8-15/h3-6,9,15H,7-8H2,1-2H3,(H,19,20)
InChIKeyGOZRTPQIUHQWHM-UHFFFAOYSA-N
XLogP3.81
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile (CID 82122216) is 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2nc(NC3CC3)c(C#N)cc2C)cc1.
What is the InChIKey of 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is GOZRTPQIUHQWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-3-5-13(6-4-11)16-12(2)9-14(10-18)17(20-16)19-15-7-8-15/h3-6,9,15H,7-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile?
2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82122216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).